butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium

C8H20N2O4P+ — CID 175143094

IUPACbutoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium
SMILESCCCCO[P+](=O)OC(N)C(N)OCC
InChIInChI=1S/C8H20N2O4P/c1-3-5-6-13-15(11)14-8(10)7(9)12-4-2/h7-8H,3-6,9-10H2,1-2H3/q+1
InChIKeySVQWGTXPUCPBQT-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.08
Rot. Bonds9

About butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium

butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium (PubChem CID 175143094) has the molecular formula C8H20N2O4P+ and a molecular weight of 239.23 g/mol. Its IUPAC name is butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium.

Molecular Properties

Compound Namebutoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium
PubChem CID175143094
Molecular FormulaC8H20N2O4P+
Molecular Weight239.23 g/mol
Exact Mass239.12
IUPAC Namebutoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium
SMILESCCCCO[P+](=O)OC(N)C(N)OCC
InChIInChI=1S/C8H20N2O4P/c1-3-5-6-13-15(11)14-8(10)7(9)12-4-2/h7-8H,3-6,9-10H2,1-2H3/q+1
InChIKeySVQWGTXPUCPBQT-UHFFFAOYSA-N
XLogP1.08
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874
butoxy-dodecoxy-oxophosphanium
CID 175103299
1,4-diaminobutoxy-hexoxy-oxophosphanium
CID 57021253
ethoxy-oxo-pentoxyphosphanium
CID 86182061
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dodecoxy-octoxy-oxophosphanium
CID 154187352
ethoxy-hexoxy-oxophosphanium
CID 6329155
dioctoxy(oxo)phosphanium;zinc
CID 175522796
benzene;dihexoxy(oxo)phosphanium
CID 19391965

Frequently Asked Questions

What is the IUPAC name of butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium?
The IUPAC name of butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium (CID 175143094) is butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium.
What is the SMILES notation for butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium?
The canonical SMILES for butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium is CCCCO[P+](=O)OC(N)C(N)OCC.
What is the InChIKey of butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium?
The InChIKey is SVQWGTXPUCPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4P/c1-3-5-6-13-15(11)14-8(10)7(9)12-4-2/h7-8H,3-6,9-10H2,1-2H3/q+1.
What are the key properties of butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium?
butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium has a molecular weight of 239.23 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(1,2-diamino-2-ethoxyethoxy)-oxophosphanium is sourced from PubChem (CID 175143094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).